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	hartrees
Energy at 0K	-302.160664
Energy at 298.15K	-302.171132
HF Energy	-302.160664
Nuclear repulsion energy	256.268020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3934	3559	42.00
2	A	3818	3454	40.09
3	A	3320	3003	2.36
4	A	3255	2944	23.75
5	A	3220	2913	30.06
6	A	3190	2886	51.74
7	A	3147	2847	74.91
8	A	3128	2830	67.87
9	A	1886	1706	585.53
10	A	1777	1607	183.30
11	A	1659	1500	105.64
12	A	1635	1479	6.50
13	A	1626	1471	4.72
14	A	1621	1466	12.86
15	A	1608	1455	46.79
16	A	1566	1416	13.29
17	A	1554	1406	216.12
18	A	1410	1275	50.22
19	A	1377	1246	43.58
20	A	1269	1148	5.30
21	A	1226	1109	1.69
22	A	1197	1083	51.83
23	A	1173	1062	29.20
24	A	1111	1005	33.85
25	A	872	789	53.08
26	A	823	745	2.68
27	A	647	586	12.86
28	A	569	515	141.93
29	A	557	504	6.47
30	A	453	410	55.61
31	A	421	381	39.21
32	A	343	310	14.55
33	A	208	188	4.17
34	A	156	141	1.47
35	A	109	99	7.18
36	A	68	62	0.47

Atom	x (Å)	y (Å)	z (Å)
H1	2.529	0.637	0.169
O2	1.209	-1.327	-0.047
C3	0.753	-0.217	-0.020
N4	-0.580	0.042	-0.047
H5	1.278	1.724	0.410
N6	1.582	0.877	-0.003
H7	-2.207	-1.046	-0.771
H8	-2.094	-0.973	0.984
H9	-0.981	-1.984	0.070
C10	-1.518	-1.053	0.066
H11	-1.144	1.821	0.951
H12	-2.145	1.336	-0.400
H13	-0.578	2.029	-0.709
C14	-1.126	1.378	-0.043

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3770	1.9807	3.1726	1.6741	0.9919	5.1140	4.9628	4.3817	4.3876	3.9372	4.7601	3.5160	3.7356
O2	2.3770		1.2007	2.2526	3.0860	2.2367	3.5037	3.4782	2.2890	2.7435	4.0550	4.2974	3.8596	3.5739
C3	1.9807	1.2007		1.3573	2.0565	1.3738	3.1641	3.1114	2.4763	2.4214	2.9483	3.3093	2.7000	2.4647
N4	3.1726	2.2526	1.3573		2.5473	2.3182	2.0875	2.0939	2.0682	1.4468	2.1161	2.0615	2.0945	1.4437
H5	1.6741	3.0860	2.0565	2.5473		0.9897	4.6060	4.3559	4.3548	3.9562	2.4837	3.5389	2.1888	2.4710
N6	0.9919	2.2367	1.3738	2.3182	0.9897		4.3187	4.2324	3.8420	3.6534	3.0385	3.7762	2.5478	2.7547
H7	5.1140	3.5037	3.1641	2.0875	4.6060	4.3187		1.7595	1.7581	1.0842	3.5090	2.4114	3.4803	2.7522
H8	4.9628	3.4782	3.1114	2.0939	4.3559	4.2324	1.7595		1.7596	1.0859	2.9511	2.6922	3.7648	2.7418
H9	4.3817	2.2890	2.4763	2.0682	4.3548	3.8420	1.7581	1.7596		1.0746	3.9086	3.5492	4.1072	3.3668
C10	4.3876	2.7435	2.4214	1.4468	3.9562	3.6534	1.0842	1.0859	1.0746		3.0304	2.5137	3.3144	2.4652
H11	3.9372	4.0550	2.9483	2.1161	2.4837	3.0385	3.5090	2.9511	3.9086	3.0304		1.7497	1.7660	1.0880
H12	4.7601	4.2974	3.3093	2.0615	3.5389	3.7762	2.4114	2.6922	3.5492	2.5137	1.7497		1.7409	1.0803
H13	3.5160	3.8596	2.7000	2.0945	2.1888	2.5478	3.4803	3.7648	4.1072	3.3144	1.7660	1.7409		1.0806
C14	3.7356	3.5739	2.4647	1.4437	2.4710	2.7547	2.7522	2.7418	3.3668	2.4652	1.0880	1.0803	1.0806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.701	H1	N6	H5	115.308
O2	C3	N4	123.320	O2	C3	N6	120.485
C3	N4	C10	119.388	C3	N4	C14	123.244
C3	N6	H5	120.060	N4	C3	N6	116.163
N4	C10	H7	110.301	N4	C10	H8	110.724
N4	C10	H9	109.328	N4	C14	H11	112.652
N4	C14	H12	108.672	N4	C14	H13	111.334
H7	C10	H8	108.342	H7	C10	H9	109.052
H8	C10	H9	109.060	C10	N4	C14	117.050
H11	C14	H12	107.592	H11	C14	H13	109.040
H12	C14	H13	107.343

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.103
2	O	-1.423
3	C	0.682
4	N	0.892
5	H	0.418
6	N	-0.635
7	H	0.513
8	H	0.531
9	H	0.666
10	C	-1.934
11	H	0.622
12	H	0.533
13	H	0.450
14	C	-1.418

	x	y	z	Total
	-2.013	3.702	0.975	4.325
CHELPG
AIM
ESP

	x	y	z
x	9.011	-0.049	-0.034
y	-0.049	8.616	0.059
z	-0.034	0.059	6.264

<r²>	163.607
(<r²>)^1/2	12.791

All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)